1,3-benzothiazol-2-ylmethyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C17H13N3O3S2/c21-16(22-9-15-18-12-3-1-2-4-13(12)25-15)6-5-14-19-17(20-23-14)11-7-8-24-10-11/h1-4,7-8,10H,5-6,9H2